SCHEMBL4642645

SCHEMBL4642645

Cc1ccccc1NC(=O)c1ccccc1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.68
ALDH1A1 P00352 6/20 0.68
RAB9A P51151 5/20 0.68
HPGD P15428 5/20 0.68
KDM4E B2RXH2 4/20 0.68
HSD17B10 Q99714 4/20 0.68
HTT P42858 3/20 0.68
LMNA P02545 2/20 0.68
MAPK1 P28482 2/20 0.68
CASP3 P42574 1/20 0.68
SENP8 Q96LD8 1/20 0.68
SENP7 Q9BQF6 1/20 0.68
SENP6 Q9GZR1 1/20 0.68
POLB P06746 3/20 0.59
MAPT P10636 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4C Q9H3R0 1/20 0.54
TP53 P04637 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31606761 1.00 NPC1 (0.68) NPC1ALDH1A1RAB9AHPGDKDM4E
SCHEMBL31462147 1.00 NPC1 (0.68) NPC1ALDH1A1RAB9AHPGDKDM4E
SCHEMBL1963361 0.89 NPC1 (0.76) NPC1ALDH1A1RAB9AHPGDKDM4E
SCHEMBL11314930 0.89 NPC1 (0.62) NPC1ALDH1A1RAB9AHPGDKDM4E
SCHEMBL11743614 0.87 NPC1 (0.72) NPC1ALDH1A1RAB9AHPGDKDM4E
SCHEMBL22671318 0.86 HDAC3 (0.61) NPC1ALDH1A1RAB9AHPGDKDM4E
SCHEMBL3690385 0.85 HPGD (0.77) NPC1ALDH1A1RAB9AHPGDKDM4E
SCHEMBL392793 0.85 NPC1 (0.70) NPC1ALDH1A1RAB9AKDM4EHSD17B10
SCHEMBL4956879 0.84 NPC1 (0.69) NPC1ALDH1A1RAB9AHPGDKDM4E
SCHEMBL17774960 0.84 ALDH1A1 (0.63) NPC1ALDH1A1RAB9AHPGDKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661459-A 1,2, 3-Benzotriazine-4 (3H) -one seleno compound and preparation method and application thereof 赣南师范大学 2025-03-21 CN claimed
CN-104744379-B A kind of quianzolinones and its synthetic method 三峡大学 2017-10-27 CN claimed
CN-104829543-B A kind of 2 (4 oxoalkyl group) quianzolinones and its synthetic method 三峡大学 2017-08-25 CN claimed
CN-119661459-A 1,2, 3-Benzotriazine-4 (3H) -one seleno compound and preparation method and application thereof 赣南师范大学 2025-03-21 CN disclosed
CN-117510415-A Synthesis method of quinazolinone compound 中国人民解放军军事科学院防化研究院 2024-02-06 CN disclosed
CN-108822046-B Method for synthesizing quinazolinone compound by one-pot method 河南大学 2021-07-06 CN disclosed
WO-2020239050-A1 2-(2-CHLORO-4-METHYLPHENYL)QUINAZOLINE-4(3H)-KETONE COMPOUND AND MEDICAL USE THEREOF 中国人民解放军军事科学院军事医学研究院 2020-12-03 WO disclosed
CN-110041273-B 2- (2-chloro-4-methylphenyl) quinazoline-4 (3H) -ketone compound and medical application thereof 中国人民解放军军事科学院军事医学研究院 2020-10-20 CN disclosed
CN-110041273-A 2- (the chloro- 4- aminomethyl phenyl of 2-) quinazoline -4 (3H) -one class compound and its medical usage 中国人民解放军军事科学院军事医学研究院 2019-07-23 CN disclosed
CN-108822046-A The method of one pot process quianzolinones 河南大学 2018-11-16 CN disclosed
CN-104744379-B A kind of quianzolinones and its synthetic method 三峡大学 2017-10-27 CN disclosed
EP-1581467-A4 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INST TECHNOLOGY (US) 2008-08-13 EP disclosed
US-7223879-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-29 US disclosed
US-7223879-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-29 US disclosed
US-7223879-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-29 US disclosed
CN-1745049-A Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2006-03-08 CN disclosed
EP-1581467-A2 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-10-05 EP disclosed
US-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2004-09-02 US disclosed
WO-2004052939-A2 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-06-24 WO disclosed
US-4004029-A BENZAMIDES THE UPJOHN COMPANY (US) 1977-01-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SLC30A6, SOD1 NPC1 3030/4885ALDH1A1 1766/4885RAB9A 3790/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.